/*
 * read_atom_test.c
 *
 *  Created on: 28.07.2012
 *      Author: maikel
 */

#include <iostream>
#include <sstream>
#include <fstream>
#include "Eigen/Dense"
#include "StructureFactor.h"

using Eigen::Vector3d;
using namespace std;


int main() {
	// blabla
	gro::StructureFactor rho("trajectory.gro");
	cout << "calculating structure factor for q = (10,0,0) ..." << endl;
	cout << "structure factor q = (10,0,0): " << rho(Vector3d(10,0,0)) << endl;
	return 0;
}
